Mol:FL5F2AGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.1631 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1631 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1631 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1631 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8776 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8776 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5921 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5921 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5921 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5921 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8776 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8776 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4487 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4487 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7342 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7342 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0197 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0197 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0197 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0197 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7342 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7342 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4487 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4487 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6947 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6947 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4092 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4092 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4092 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4092 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6947 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6947 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7342 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7342 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3685 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3685 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0550 -1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0550 -1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9550 -0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9550 -0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1928 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1928 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8059 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8059 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9421 -0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9421 -0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3546 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3546 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5614 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5614 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7633 -0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7633 -0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3507 -0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3507 -0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1441 -0.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1441 -0.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7680 -1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7680 -1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0361 -1.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0361 -1.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8059 -0.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8059 -0.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5541 -0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5541 -0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 27 18 1 0 0 0 0 | + | 27 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5F2AGS0001 | + | ID FL5F2AGS0001 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES O(C)c(c1)ccc(C(O2)=C(O)C(=O)c(c3)c2cc(OC(O4)C(C(C(O)C4C)O)O)c3O)c1 | + | SMILES O(C)c(c1)ccc(C(O2)=C(O)C(=O)c(c3)c2cc(OC(O4)C(C(C(O)C4C)O)O)c3O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
2.1631 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1631 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8776 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5921 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5921 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8776 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4487 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7342 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0197 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0197 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7342 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4487 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6947 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4092 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4092 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6947 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7342 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3685 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0550 -1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9550 -0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1928 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9421 -0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3546 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5614 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7633 -0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3507 -0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1441 -0.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7680 -1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0361 -1.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8059 -0.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5541 -0.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
15 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
24 31 1 0 0 0 0
23 32 1 0 0 0 0
27 18 1 0 0 0 0
S SKP 5
ID FL5F2AGS0001
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES O(C)c(c1)ccc(C(O2)=C(O)C(=O)c(c3)c2cc(OC(O4)C(C(C(O)C4C)O)O)c3O)c1
M END
